bis(1,4-dimethylnaphthalene);ethane;1-ethyl-4-phenylbenzene;3-(4-ethylphenyl)-4-methylfuran;4-(4-ethylphenyl)-1-methylpyrazole;3-(4-ethylphenyl)pyridine;4-(4-ethylphenyl)-2H-pyrrole;methane;N-(4-methoxy-3-methylphenyl)-3-methylbenzamide;1-methylnaphthalene;4-methyl-2-propan-2-yl-1,3-thiazole;1-phenylethanone

C137H162N6O4S — CID 161406449

IUPACbis(1,4-dimethylnaphthalene);ethane;1-ethyl-4-phenylbenzene;3-(4-ethylphenyl)-4-methylfuran;4-(4-ethylphenyl)-1-methylpyrazole;3-(4-ethylphenyl)pyridine;4-(4-ethylphenyl)-2H-pyrrole;methane;N-(4-methoxy-3-methylphenyl)-3-methylbenzamide;1-methylnaphthalene;4-methyl-2-propan-2-yl-1,3-thiazole;1-phenylethanone
SMILESC.C.C.CC.CC.CC(=O)c1ccccc1.CCc1ccc(-c2ccccc2)cc1.CCc1ccc(-c2cccnc2)cc1.CCc1ccc(-c2cnn(C)c2)cc1.CCc1ccc(-c2cocc2C)cc1.CCc1ccc(C2=CCN=C2)cc1.COc1ccc(NC(=O)c2cccc(C)c2)cc1C.Cc1ccc(C)c2ccccc12.Cc1ccc(C)c2ccccc12.Cc1cccc2ccccc12.Cc1csc(C(C)C)n1
InChIInChI=1S/C16H17NO2.C14H14.C13H13N.C13H14O.C12H14N2.C12H13N.2C12H12.C11H10.C8H8O.C7H11NS.2C2H6.3CH4/c1-11-5-4-6-13(9-11)16(18)17-14-7-8-15(19-3)12(2)10-14;1-2-12-8-10-14(11-9-12)13-6-4-3-5-7-13;1-2-11-5-7-12(8-6-11)13-4-3-9-14-10-13;1-3-11-4-6-12(7-5-11)13-9-14-8-10(13)2;1-3-10-4-6-11(7-5-10)12-8-13-14(2)9-12;1-2-10-3-5-11(6-4-10)12-7-8-13-9-12;2*1-9-7-8-10(2)12-6-4-3-5-11(9)12;1-9-5-4-7-10-6-2-3-8-11(9)10;1-7(9)8-5-3-2-4-6-8;1-5(2)7-8-6(3)4-9-7;2*1-2;;;/h4-10H,1-3H3,(H,17,18);3-11H,2H2,1H3;3-10H,2H2,1H3;2*4-9H,3H2,1-2H3;3-7,9H,2,8H2,1H3;2*3-8H,1-2H3;2-8H,1H3;2-6H,1H3;4-5H,1-3H3;2*1-2H3;3*1H4
InChIKeyVUXCIWKXSQRFGW-UHFFFAOYSA-N
MW1988.91 g/mol
LogP38.46
Rot. Bonds15

About bis(1,4-dimethylnaphthalene);ethane;1-ethyl-4-phenylbenzene;3-(4-ethylphenyl)-4-methylfuran;4-(4-ethylphenyl)-1-methylpyrazole;3-(4-ethylphenyl)pyridine;4-(4-ethylphenyl)-2H-pyrrole;methane;N-(4-methoxy-3-methylphenyl)-3-methylbenzamide;1-methylnaphthalene;4-methyl-2-propan-2-yl-1,3-thiazole;1-phenylethanone

bis(1,4-dimethylnaphthalene);ethane;1-ethyl-4-phenylbenzene;3-(4-ethylphenyl)-4-methylfuran;4-(4-ethylphenyl)-1-methylpyrazole;3-(4-ethylphenyl)pyridine;4-(4-ethylphenyl)-2H-pyrrole;methane;N-(4-methoxy-3-methylphenyl)-3-methylbenzamide;1-methylnaphthalene;4-methyl-2-propan-2-yl-1,3-thiazole;1-phenylethanone (PubChem CID 161406449) has the molecular formula C137H162N6O4S and a molecular weight of 1988.91 g/mol. Its IUPAC name is bis(1,4-dimethylnaphthalene);ethane;1-ethyl-4-phenylbenzene;3-(4-ethylphenyl)-4-methylfuran;4-(4-ethylphenyl)-1-methylpyrazole;3-(4-ethylphenyl)pyridine;4-(4-ethylphenyl)-2H-pyrrole;methane;N-(4-methoxy-3-methylphenyl)-3-methylbenzamide;1-methylnaphthalene;4-methyl-2-propan-2-yl-1,3-thiazole;1-phenylethanone.

Molecular Properties

Compound Namebis(1,4-dimethylnaphthalene);ethane;1-ethyl-4-phenylbenzene;3-(4-ethylphenyl)-4-methylfuran;4-(4-ethylphenyl)-1-methylpyrazole;3-(4-ethylphenyl)pyridine;4-(4-ethylphenyl)-2H-pyrrole;methane;N-(4-methoxy-3-methylphenyl)-3-methylbenzamide;1-methylnaphthalene;4-methyl-2-propan-2-yl-1,3-thiazole;1-phenylethanone
PubChem CID161406449
Molecular FormulaC137H162N6O4S
Molecular Weight1988.91 g/mol
Exact Mass1987.24
IUPAC Namebis(1,4-dimethylnaphthalene);ethane;1-ethyl-4-phenylbenzene;3-(4-ethylphenyl)-4-methylfuran;4-(4-ethylphenyl)-1-methylpyrazole;3-(4-ethylphenyl)pyridine;4-(4-ethylphenyl)-2H-pyrrole;methane;N-(4-methoxy-3-methylphenyl)-3-methylbenzamide;1-methylnaphthalene;4-methyl-2-propan-2-yl-1,3-thiazole;1-phenylethanone
SMILESC.C.C.CC.CC.CC(=O)c1ccccc1.CCc1ccc(-c2ccccc2)cc1.CCc1ccc(-c2cccnc2)cc1.CCc1ccc(-c2cnn(C)c2)cc1.CCc1ccc(-c2cocc2C)cc1.CCc1ccc(C2=CCN=C2)cc1.COc1ccc(NC(=O)c2cccc(C)c2)cc1C.Cc1ccc(C)c2ccccc12.Cc1ccc(C)c2ccccc12.Cc1cccc2ccccc12.Cc1csc(C(C)C)n1
InChIInChI=1S/C16H17NO2.C14H14.C13H13N.C13H14O.C12H14N2.C12H13N.2C12H12.C11H10.C8H8O.C7H11NS.2C2H6.3CH4/c1-11-5-4-6-13(9-11)16(18)17-14-7-8-15(19-3)12(2)10-14;1-2-12-8-10-14(11-9-12)13-6-4-3-5-7-13;1-2-11-5-7-12(8-6-11)13-4-3-9-14-10-13;1-3-11-4-6-12(7-5-11)13-9-14-8-10(13)2;1-3-10-4-6-11(7-5-10)12-8-13-14(2)9-12;1-2-10-3-5-11(6-4-10)12-7-8-13-9-12;2*1-9-7-8-10(2)12-6-4-3-5-11(9)12;1-9-5-4-7-10-6-2-3-8-11(9)10;1-7(9)8-5-3-2-4-6-8;1-5(2)7-8-6(3)4-9-7;2*1-2;;;/h4-10H,1-3H3,(H,17,18);3-11H,2H2,1H3;3-10H,2H2,1H3;2*4-9H,3H2,1-2H3;3-7,9H,2,8H2,1H3;2*3-8H,1-2H3;2-8H,1H3;2-6H,1H3;4-5H,1-3H3;2*1-2H3;3*1H4
InChIKeyVUXCIWKXSQRFGW-UHFFFAOYSA-N
XLogP38.46
TPSA124.50 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms148
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001988.91
LogP ≤ 538.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze bis(1,4-dimethylnaphthalene);ethane;1-ethyl-4-phenylbenzene;3-(4-ethylphenyl)-4-methylfuran;4-(4-ethylphenyl)-1-methylpyrazole;3-(4-ethylphenyl)pyridine;4-(4-ethylphenyl)-2H-pyrrole;methane;N-(4-methoxy-3-methylphenyl)-3-methylbenzamide;1-methylnaphthalene;4-methyl-2-propan-2-yl-1,3-thiazole;1-phenylethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(1,4-dimethylnaphthalene);ethane;1-ethyl-4-phenylbenzene;3-(4-ethylphenyl)-4-methylfuran;4-(4-ethylphenyl)-1-methylpyrazole;3-(4-ethylphenyl)pyridine;4-(4-ethylphenyl)-2H-pyrrole;methane;N-(4-methoxy-3-methylphenyl)-3-methylbenzamide;1-methylnaphthalene;4-methyl-2-propan-2-yl-1,3-thiazole;1-phenylethanone?
The IUPAC name of bis(1,4-dimethylnaphthalene);ethane;1-ethyl-4-phenylbenzene;3-(4-ethylphenyl)-4-methylfuran;4-(4-ethylphenyl)-1-methylpyrazole;3-(4-ethylphenyl)pyridine;4-(4-ethylphenyl)-2H-pyrrole;methane;N-(4-methoxy-3-methylphenyl)-3-methylbenzamide;1-methylnaphthalene;4-methyl-2-propan-2-yl-1,3-thiazole;1-phenylethanone (CID 161406449) is bis(1,4-dimethylnaphthalene);ethane;1-ethyl-4-phenylbenzene;3-(4-ethylphenyl)-4-methylfuran;4-(4-ethylphenyl)-1-methylpyrazole;3-(4-ethylphenyl)pyridine;4-(4-ethylphenyl)-2H-pyrrole;methane;N-(4-methoxy-3-methylphenyl)-3-methylbenzamide;1-methylnaphthalene;4-methyl-2-propan-2-yl-1,3-thiazole;1-phenylethanone.
What is the SMILES notation for bis(1,4-dimethylnaphthalene);ethane;1-ethyl-4-phenylbenzene;3-(4-ethylphenyl)-4-methylfuran;4-(4-ethylphenyl)-1-methylpyrazole;3-(4-ethylphenyl)pyridine;4-(4-ethylphenyl)-2H-pyrrole;methane;N-(4-methoxy-3-methylphenyl)-3-methylbenzamide;1-methylnaphthalene;4-methyl-2-propan-2-yl-1,3-thiazole;1-phenylethanone?
The canonical SMILES for bis(1,4-dimethylnaphthalene);ethane;1-ethyl-4-phenylbenzene;3-(4-ethylphenyl)-4-methylfuran;4-(4-ethylphenyl)-1-methylpyrazole;3-(4-ethylphenyl)pyridine;4-(4-ethylphenyl)-2H-pyrrole;methane;N-(4-methoxy-3-methylphenyl)-3-methylbenzamide;1-methylnaphthalene;4-methyl-2-propan-2-yl-1,3-thiazole;1-phenylethanone is C.C.C.CC.CC.CC(=O)c1ccccc1.CCc1ccc(-c2ccccc2)cc1.CCc1ccc(-c2cccnc2)cc1.CCc1ccc(-c2cnn(C)c2)cc1.CCc1ccc(-c2cocc2C)cc1.CCc1ccc(C2=CCN=C2)cc1.COc1ccc(NC(=O)c2cccc(C)c2)cc1C.Cc1ccc(C)c2ccccc12.Cc1ccc(C)c2ccccc12.Cc1cccc2ccccc12.Cc1csc(C(C)C)n1.
What is the InChIKey of bis(1,4-dimethylnaphthalene);ethane;1-ethyl-4-phenylbenzene;3-(4-ethylphenyl)-4-methylfuran;4-(4-ethylphenyl)-1-methylpyrazole;3-(4-ethylphenyl)pyridine;4-(4-ethylphenyl)-2H-pyrrole;methane;N-(4-methoxy-3-methylphenyl)-3-methylbenzamide;1-methylnaphthalene;4-methyl-2-propan-2-yl-1,3-thiazole;1-phenylethanone?
The InChIKey is VUXCIWKXSQRFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2.C14H14.C13H13N.C13H14O.C12H14N2.C12H13N.2C12H12.C11H10.C8H8O.C7H11NS.2C2H6.3CH4/c1-11-5-4-6-13(9-11)16(18)17-14-7-8-15(19-3)12(2)10-14;1-2-12-8-10-14(11-9-12)13-6-4-3-5-7-13;1-2-11-5-7-12(8-6-11)13-4-3-9-14-10-13;1-3-11-4-6-12(7-5-11)13-9-14-8-10(13)2;1-3-10-4-6-11(7-5-10)12-8-13-14(2)9-12;1-2-10-3-5-11(6-4-10)12-7-8-13-9-12;2*1-9-7-8-10(2)12-6-4-3-5-11(9)12;1-9-5-4-7-10-6-2-3-8-11(9)10;1-7(9)8-5-3-2-4-6-8;1-5(2)7-8-6(3)4-9-7;2*1-2;;;/h4-10H,1-3H3,(H,17,18);3-11H,2H2,1H3;3-10H,2H2,1H3;2*4-9H,3H2,1-2H3;3-7,9H,2,8H2,1H3;2*3-8H,1-2H3;2-8H,1H3;2-6H,1H3;4-5H,1-3H3;2*1-2H3;3*1H4.
What are the key properties of bis(1,4-dimethylnaphthalene);ethane;1-ethyl-4-phenylbenzene;3-(4-ethylphenyl)-4-methylfuran;4-(4-ethylphenyl)-1-methylpyrazole;3-(4-ethylphenyl)pyridine;4-(4-ethylphenyl)-2H-pyrrole;methane;N-(4-methoxy-3-methylphenyl)-3-methylbenzamide;1-methylnaphthalene;4-methyl-2-propan-2-yl-1,3-thiazole;1-phenylethanone?
bis(1,4-dimethylnaphthalene);ethane;1-ethyl-4-phenylbenzene;3-(4-ethylphenyl)-4-methylfuran;4-(4-ethylphenyl)-1-methylpyrazole;3-(4-ethylphenyl)pyridine;4-(4-ethylphenyl)-2H-pyrrole;methane;N-(4-methoxy-3-methylphenyl)-3-methylbenzamide;1-methylnaphthalene;4-methyl-2-propan-2-yl-1,3-thiazole;1-phenylethanone has a molecular weight of 1988.91 g/mol, XLogP of 38.46, 15 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,4-dimethylnaphthalene);ethane;1-ethyl-4-phenylbenzene;3-(4-ethylphenyl)-4-methylfuran;4-(4-ethylphenyl)-1-methylpyrazole;3-(4-ethylphenyl)pyridine;4-(4-ethylphenyl)-2H-pyrrole;methane;N-(4-methoxy-3-methylphenyl)-3-methylbenzamide;1-methylnaphthalene;4-methyl-2-propan-2-yl-1,3-thiazole;1-phenylethanone is sourced from PubChem (CID 161406449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).